Geometry & MOs

Info

ID:	153373
PubChem CID:	56312560
Reduced:	NF3O5C18H26 (1)
Stoich.:	AB3C5D18E26 (1)
Weight, g/mol:	465.161933
ΔH_f, kcal/mol:	-356.79
Dipole, Da:	2.25
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COCCOCCCNC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC

DOS

IR

Vibrations